HRID1119126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2734386

4-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

反应SMILES：COC(=O)CCNC(=O)c1ccc(C(CC(C)C)Sc2ccc(Br)cc2)cc1

HCID67153603

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)CCNC(=O)c1ccc(C(CC(C)C)Sc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1

HCID67153483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e750958701ee4771884d5ca8f27cfcd2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[S:19][c:20]2[cH:21][cH:22][c:23]([Br:26])[cH:24][cH:25]2)[cH:12][cH:13]1)=[O:27])=[O:28].[F:35][C:36]([O:37][c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1)([F:47])[F:48].[K+:33].[K+:34]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH:14]([CH2:15][CH:16]([CH3:17])[CH3:18])[S:19][c:20]2[cH:21][cH:22][c:23](-[c:41]3[cH:40][cH:39][c:38]([O:37][C:36]([F:35])([F:47])[F:48])[cH:43][cH:42]3)[cH:24][cH:25]2)[cH:12][cH:13]1)=[O:27])=[O:28]